[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 2,5-bis(chloranyl)benzenesulfonate Openeye Name: [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] 2,5-dichlorobenzenesulfonate CAS Name: 2,5-dichlorobenzenesulfonic acid [5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 2,5-dichlorobenzenesulfonate Traditional Name: 2,5-dichlorobenzenesulfonic acid [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O3S/c1-13-5-8-15(9-6-13)24-19(12-18(23-24)20(2,3)4)27-28(25,26)17-11-14(21)7-10-16(17)22/h5-12H,1-4H3